Results 61 to 70 of about 35,154 (267)

DFTBaby: A software package for non-adiabatic molecular dynamics simulations based on long-range corrected tight-binding TD-DFT(B)

, 2017
A software package, called DFTBaby, is published, which provides the electronic structure needed for running non-adiabatic molecular dynamics simulations at the level of charge-consistent tight-binding DFT.
Humeniuk, Alexander, Mitric, Roland
core   +1 more source

Nanoparticle-doped electrospun fiber random lasers with spatially extended light modes [PDF]

, 2017
Complex assemblies of light-emitting polymer nanofibers with molecular materials exhibiting optical gain can lead to important advance to amorphous photonics and to random laser science and devices.
Camposeo, Andrea, Grazulevicius, Juozas V., Jursenas, Saulius, Kazlauska, Karolis, Moffa, Maria, Montinaro, Martina, Pisignano, Dario, Resta, Vincenzo, Tomkeviciene, Ausra   +8 more
core   +2 more sources

Functionalized fluorenes via dicationic electrophiles [PDF]

Tetrahedron Letters, 2019
Dicationic fluorenyl cations are shown to react with nitriles to provide amide-functionalized fluorenes. A similar reaction with alcohols gives ether derivatives. The chemistry is initiated by the reactions of N-heterocyclic ketones in a superacidic solution. This leads to cyclizations involving 2-biphenyl groups and formation of the reactive fluorenyl
Michael R, Stentzel, Douglas A, Klumpp
openaire   +2 more sources

Intramolecular FRET Cascades Enable Small Efficiency Roll‐Off in Solution‐Processed OLEDs

Advanced Optical Materials, EarlyView.
This work highlights how an intramolecular FRET design strategy in solution‐processable MR‐TADF emitters enables narrowband emission, high PLQY, and efficient exciton harvesting. The resulting hyperfluorescent solution‐processed OLEDs reach up to 20.7% EQEmax with minimal efficiency roll‐off even at 10 000 cd m−2, demonstrating strong potential for ...
Mahni Fatahi, Debasish Barman, Youichi Tsuchiya, Chihaya Adachi, Eli Zysman‐Colman   +4 more
wiley   +1 more source

Cobalt‐Catalyzed Intramolecular C─H Silylation of Arenes

Angewandte Chemie, EarlyView.
Direct C─Si bond formation via C─H silylation is an atom‐economical route to organosilanes but is largely limited to noble metals. We report the first cobalt‐catalyzed intramolecular arene C–H silylation enabled by HCo(PMe3)4, which activates Si–H and C–H bonds to form diverse silacycles and silafluorenes in high yields with broad functional‐group ...
Yongqiang Xu, Valentin Poirier, Gilles Lemière, Julie Oble, Marc Petit   +4 more
wiley   +2 more sources

Synthesis and Characterization of Four Random copolymers Containing Fluorene as Electron Donors and Benzotriazole, Benzothiadiazole, Pyrido[3,4-b]pyrazine as Electron Acceptors

International Journal of Electrochemical Science, 2018
Four copolymers, poly(fluorene-pyrido[3,4-b]pyrazine) (PFPP), poly(benzotriazole-fluorene-pyrido[3,4-b]pyrazine) (PBTFPP), poly(benzotriazole-fluorene-benzothiadiazole) (PBTFBD), poly(benzothiadiazole-fluorene-benzothiadiazole) (PBDFBD)were synthesized ...
Shuang Chen, Lingqian Kong, Chaolei Ban, Jinsheng Zhao, Hongmei Du   +4 more
doaj   +1 more source

Fragmentation Dynamics of Fluorene Explored Using Ultrafast XUV-Vis Pump-Probe Spectroscopy

Frontiers in Physics, 2022
We report on the use of extreme ultraviolet (XUV, 30.3 nm) radiation from the Free-electron LASer in Hamburg (FLASH) and visible (Vis, 405 nm) photons from an optical laser to investigate the relaxation and fragmentation dynamics of fluorene ions.
D. Garg, D. Garg, J. W. L. Lee, J. W. L. Lee, D. S. Tikhonov, D. S. Tikhonov, P. Chopra, P. Chopra, A. L. Steber, A. L. Steber, A. L. Steber, A. K. Lemmens, A. K. Lemmens, B. Erk, F. Allum, R. Boll, X. Cheng, X. Cheng, S. Düsterer, S. Gruet, L. He, D. Heathcote, M. Johny, M. Johny, M. Johny, M. M. Kazemi, H. Köckert, J. Lahl, D. Loru, D. Loru, S. Maclot, S. Maclot, R. Mason, E. Müller, T. Mullins, P. Olshin, C. Passow, J. Peschel, D. Ramm, D. Rompotis, D. Rompotis, S. Trippel, S. Trippel, J. Wiese, J. Wiese, F. Ziaee, S. Bari, M. Burt, J. Küpper, J. Küpper, J. Küpper, J. Küpper, A. M. Rijs, D. Rolles, S. Techert, S. Techert, P. Eng-Johnsson, M. Brouard, C. Vallance, B. Manschwetus, M. Schnell, M. Schnell   +61 more
doaj   +1 more source

Shellfish Tissue Monitoring in Piscataqua Region Estuaries 2010 and 2011 [PDF]

, 2012
The goal of this project was to provide data for two PREP indicators of estuarine condition: TOX1 and TOX3. These two indicators report on “Shellfish tissue concentrations relative to FDA standards” and “Trends in shellfish tissue contaminant ...
New Hampshire Department of Environmental Services, Trowbridge, Philip R., Wood, Matthew A.   +2 more
core   +2 more sources

Electrostatic Potential Complementarity for Thickness‐Tolerant Cathode Interlayers in High‐Efficiency Organic and Tandem Solar Cells

Advanced Science, EarlyView.
Two model molecules — trimesic acid (TMA) and phloroglucinol (PG) — with opposite central electrostatic potential (ESP) distributions are employed to elucidate how molecular electrostatic interactions regulate the cathode interlayer (CIL) PDINN. Electrostatic potential complementarity is revealed as the intrinsic origin of thickness sensitivity in CILs,
Xiaoman Ding, Dana Mukasheva, Jiaxu Che, Guangye Zhang, Xiuze Hei, Haoran Lin, Jie Lv, Patrick Fong, Zhiwei Ren, Annie Ng, Mingjian Yuan, Hongyu Zhang, Gang Li, Hanlin Hu   +13 more
wiley   +1 more source

Rotational Spectroscopy of PAHs: Acenaphthene, Acenaphthylene and Fluorene

, 2005
Pure rotational spectra of three polycyclic aromatic hydrocarbons - acenaphthene, acenaphthylene and fluorene - have been obtained by Fourier transform microwave spectroscopy of a molecular beam and subsequently by millimeter wave absorption spectroscopy
Gottlieb, C. A., McCarthy, M. C., Thaddeus, P., Theule, P., Thorwirth, S.   +4 more
core   +1 more source